[CP2K-user] [CP2K:21989] Problems about VIBRATIONAL_ANALYSIS

'Cao Yang' via cp2k cp2k at googlegroups.com
Sat Nov 29 10:26:47 UTC 2025



Dear CP2K community,

I am encountering an issue when using CP2K 2025 to perform 
*VIBRATIONAL_ANALYSIS*. The job appears to be running normally in the SLURM 
job submission system, and when I log in to the corresponding node and 
check with top, the program seems active. However, the output file has not 
been updated for more than ten days (see the screenshot below). What might 
be causing this? Could it be related to memory usage?

In addition, a large number of files named *TEST-r-9.out* and 
*TEST-r-4-raman-5_1.data* have been generated. Could someone explain what 
these files represent?
Thank you for your help.[image: out.png]

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